N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine

C15H15N5O — CID 1482504

IUPACN,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c1-19(2)15-16-17-18-20(15)12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyPKWLCEGUCSOJAU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.52
Rot. Bonds4

About N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine

N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine (PubChem CID 1482504) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine
PubChem CID1482504
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c1-19(2)15-16-17-18-20(15)12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyPKWLCEGUCSOJAU-UHFFFAOYSA-N
XLogP2.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine?
The IUPAC name of N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine (CID 1482504) is N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine?
The canonical SMILES for N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine is CN(C)c1nnnn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine?
The InChIKey is PKWLCEGUCSOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-19(2)15-16-17-18-20(15)12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine?
N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine has a molecular weight of 281.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenoxyphenyl)tetrazol-5-amine is sourced from PubChem (CID 1482504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).